USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 136 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ -173:sc= -1.19 (180deg=-1.32) USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= -0.0708 (180deg=-0.762) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -13.471 0.784 -0.415 1.00 0.00 N ATOM 2 CA ILE A 1 -12.357 1.747 -0.165 1.00 0.00 C ATOM 3 C ILE A 1 -11.795 1.556 1.241 1.00 0.00 C ATOM 4 O ILE A 1 -11.019 2.349 1.734 1.00 0.00 O ATOM 5 CB ILE A 1 -12.987 3.132 -0.296 1.00 0.00 C ATOM 6 CG1 ILE A 1 -13.571 3.308 -1.703 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.921 4.203 -0.048 1.00 0.00 C ATOM 8 CD1 ILE A 1 -14.071 4.746 -1.876 1.00 0.00 C ATOM 0 H1 ILE A 1 -13.764 0.843 -1.411 1.00 0.00 H new ATOM 0 H2 ILE A 1 -13.148 -0.182 -0.206 1.00 0.00 H new ATOM 0 H3 ILE A 1 -14.278 1.020 0.198 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.532 1.604 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 1 -13.786 3.234 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -12.813 3.083 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -14.391 2.606 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.370 5.192 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -11.512 4.084 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.121 4.097 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -14.486 4.869 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -14.843 4.954 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.241 5.439 -1.740 1.00 0.00 H new ATOM 22 N LEU A 2 -12.187 0.503 1.880 1.00 0.00 N ATOM 23 CA LEU A 2 -11.694 0.228 3.260 1.00 0.00 C ATOM 24 C LEU A 2 -10.192 -0.081 3.237 1.00 0.00 C ATOM 25 O LEU A 2 -9.690 -0.659 2.295 1.00 0.00 O ATOM 26 CB LEU A 2 -12.500 -0.985 3.745 1.00 0.00 C ATOM 27 CG LEU A 2 -12.026 -2.263 3.043 1.00 0.00 C ATOM 28 CD1 LEU A 2 -12.350 -3.473 3.923 1.00 0.00 C ATOM 29 CD2 LEU A 2 -12.747 -2.411 1.700 1.00 0.00 C ATOM 0 H LEU A 2 -12.835 -0.191 1.508 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.825 1.084 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.390 -1.094 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.560 -0.827 3.547 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.951 -2.205 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.014 -4.384 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.840 -3.373 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.426 -3.525 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.408 -3.320 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.822 -2.469 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.524 -1.549 1.071 1.00 0.00 H new ATOM 41 N PRO A 3 -9.526 0.322 4.285 1.00 0.00 N ATOM 42 CA PRO A 3 -8.066 0.091 4.393 1.00 0.00 C ATOM 43 C PRO A 3 -7.783 -1.381 4.711 1.00 0.00 C ATOM 44 O PRO A 3 -7.665 -1.765 5.858 1.00 0.00 O ATOM 45 CB PRO A 3 -7.647 0.987 5.556 1.00 0.00 C ATOM 46 CG PRO A 3 -8.884 1.160 6.382 1.00 0.00 C ATOM 47 CD PRO A 3 -10.065 1.026 5.454 1.00 0.00 C ATOM 0 HA PRO A 3 -7.526 0.315 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.846 0.530 6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.274 1.947 5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.928 0.409 7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.887 2.135 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.875 0.464 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.469 2.001 5.181 1.00 0.00 H new ATOM 55 N TRP A 4 -7.677 -2.211 3.707 1.00 0.00 N ATOM 56 CA TRP A 4 -7.405 -3.653 3.961 1.00 0.00 C ATOM 57 C TRP A 4 -7.026 -4.366 2.671 1.00 0.00 C ATOM 58 O TRP A 4 -5.973 -4.963 2.555 1.00 0.00 O ATOM 59 CB TRP A 4 -8.719 -4.204 4.517 1.00 0.00 C ATOM 60 CG TRP A 4 -8.427 -5.209 5.581 1.00 0.00 C ATOM 61 CD1 TRP A 4 -7.848 -6.416 5.387 1.00 0.00 C ATOM 62 CD2 TRP A 4 -8.696 -5.109 7.003 1.00 0.00 C ATOM 63 NE1 TRP A 4 -7.746 -7.061 6.608 1.00 0.00 N ATOM 64 CE2 TRP A 4 -8.256 -6.292 7.636 1.00 0.00 C ATOM 65 CE3 TRP A 4 -9.274 -4.107 7.792 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -8.386 -6.476 9.012 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -9.410 -4.284 9.179 1.00 0.00 C ATOM 68 CH2 TRP A 4 -8.967 -5.468 9.789 1.00 0.00 C ATOM 0 H TRP A 4 -7.767 -1.952 2.725 1.00 0.00 H new ATOM 0 HA TRP A 4 -6.572 -3.800 4.649 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.323 -3.393 4.924 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -9.300 -4.664 3.718 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.520 -6.811 4.437 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.344 -7.990 6.733 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -9.617 -3.192 7.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.041 -7.389 9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -9.858 -3.505 9.779 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -9.074 -5.601 10.855 1.00 0.00 H new ATOM 79 N LYS A 5 -7.885 -4.308 1.709 1.00 0.00 N ATOM 80 CA LYS A 5 -7.609 -4.978 0.405 1.00 0.00 C ATOM 81 C LYS A 5 -6.942 -4.002 -0.569 1.00 0.00 C ATOM 82 O LYS A 5 -7.177 -4.044 -1.760 1.00 0.00 O ATOM 83 CB LYS A 5 -8.980 -5.404 -0.119 1.00 0.00 C ATOM 84 CG LYS A 5 -9.312 -6.807 0.390 1.00 0.00 C ATOM 85 CD LYS A 5 -10.702 -6.804 1.031 1.00 0.00 C ATOM 86 CE LYS A 5 -11.772 -6.814 -0.065 1.00 0.00 C ATOM 87 NZ LYS A 5 -11.747 -8.195 -0.628 1.00 0.00 N ATOM 0 H LYS A 5 -8.780 -3.822 1.762 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.931 -5.825 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.742 -4.697 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.984 -5.392 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.282 -7.520 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.566 -7.127 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.819 -7.675 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.821 -5.923 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.754 -6.573 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.555 -6.072 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.517 -8.153 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.027 -8.759 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.680 -8.638 -0.503 1.00 0.00 H new ATOM 101 N TRP A 6 -6.114 -3.123 -0.075 1.00 0.00 N ATOM 102 CA TRP A 6 -5.437 -2.148 -0.978 1.00 0.00 C ATOM 103 C TRP A 6 -3.954 -2.498 -1.128 1.00 0.00 C ATOM 104 O TRP A 6 -3.333 -2.995 -0.209 1.00 0.00 O ATOM 105 CB TRP A 6 -5.605 -0.795 -0.296 1.00 0.00 C ATOM 106 CG TRP A 6 -6.458 0.079 -1.145 1.00 0.00 C ATOM 107 CD1 TRP A 6 -7.802 0.041 -1.202 1.00 0.00 C ATOM 108 CD2 TRP A 6 -6.035 1.112 -2.062 1.00 0.00 C ATOM 109 NE1 TRP A 6 -8.236 0.998 -2.105 1.00 0.00 N ATOM 110 CE2 TRP A 6 -7.175 1.687 -2.662 1.00 0.00 C ATOM 111 CE3 TRP A 6 -4.776 1.594 -2.417 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -7.063 2.718 -3.596 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -4.650 2.632 -3.356 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.793 3.192 -3.946 1.00 0.00 C ATOM 0 H TRP A 6 -5.877 -3.037 0.913 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.862 -2.153 -1.982 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.060 -0.924 0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.632 -0.331 -0.138 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.437 -0.625 -0.637 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -9.215 1.172 -2.330 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.892 1.167 -1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.947 3.146 -4.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.671 3.000 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.693 3.988 -4.669 1.00 0.00 H new ATOM 125 N PRO A 7 -3.439 -2.220 -2.295 1.00 0.00 N ATOM 126 CA PRO A 7 -2.015 -2.504 -2.592 1.00 0.00 C ATOM 127 C PRO A 7 -1.103 -1.482 -1.906 1.00 0.00 C ATOM 128 O PRO A 7 -0.969 -0.359 -2.350 1.00 0.00 O ATOM 129 CB PRO A 7 -1.933 -2.369 -4.109 1.00 0.00 C ATOM 130 CG PRO A 7 -3.062 -1.459 -4.483 1.00 0.00 C ATOM 131 CD PRO A 7 -4.136 -1.622 -3.438 1.00 0.00 C ATOM 0 HA PRO A 7 -1.693 -3.482 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.973 -1.953 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.031 -3.339 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.723 -0.424 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.447 -1.710 -5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.584 -0.664 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.942 -2.264 -3.793 1.00 0.00 H new ATOM 139 N TRP A 8 -0.468 -1.866 -0.833 1.00 0.00 N ATOM 140 CA TRP A 8 0.443 -0.918 -0.129 1.00 0.00 C ATOM 141 C TRP A 8 1.287 -1.664 0.906 1.00 0.00 C ATOM 142 O TRP A 8 0.966 -1.690 2.077 1.00 0.00 O ATOM 143 CB TRP A 8 -0.473 0.086 0.566 1.00 0.00 C ATOM 144 CG TRP A 8 0.327 1.238 1.075 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.397 1.814 0.469 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.119 1.964 2.301 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.854 2.848 1.269 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.091 2.978 2.415 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.824 1.825 3.315 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.126 3.833 3.517 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.805 2.679 4.428 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.173 3.683 4.530 1.00 0.00 C ATOM 0 H TRP A 8 -0.540 -2.793 -0.413 1.00 0.00 H new ATOM 0 HA TRP A 8 1.132 -0.431 -0.819 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.233 0.440 -0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.996 -0.397 1.391 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.821 1.516 -0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.653 3.440 1.041 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.577 1.054 3.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.881 4.602 3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.543 2.565 5.208 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.189 4.338 5.389 1.00 0.00 H new ATOM 163 N TRP A 9 2.360 -2.271 0.486 1.00 0.00 N ATOM 164 CA TRP A 9 3.218 -3.012 1.447 1.00 0.00 C ATOM 165 C TRP A 9 4.470 -2.195 1.781 1.00 0.00 C ATOM 166 O TRP A 9 5.451 -2.245 1.067 1.00 0.00 O ATOM 167 CB TRP A 9 3.603 -4.301 0.721 1.00 0.00 C ATOM 168 CG TRP A 9 3.230 -5.480 1.554 1.00 0.00 C ATOM 169 CD1 TRP A 9 3.953 -6.615 1.688 1.00 0.00 C ATOM 170 CD2 TRP A 9 2.050 -5.647 2.369 1.00 0.00 C ATOM 171 NE1 TRP A 9 3.278 -7.471 2.544 1.00 0.00 N ATOM 172 CE2 TRP A 9 2.095 -6.914 2.989 1.00 0.00 C ATOM 173 CE3 TRP A 9 0.958 -4.818 2.619 1.00 0.00 C ATOM 174 CZ2 TRP A 9 1.076 -7.345 3.839 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -0.075 -5.240 3.472 1.00 0.00 C ATOM 176 CH2 TRP A 9 -0.017 -6.503 4.083 1.00 0.00 C ATOM 0 H TRP A 9 2.680 -2.286 -0.483 1.00 0.00 H new ATOM 0 HA TRP A 9 2.705 -3.209 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.098 -4.351 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.674 -4.310 0.520 1.00 0.00 H new ATOM 0 HD1 TRP A 9 4.899 -6.820 1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.613 -8.396 2.812 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.906 -3.845 2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.129 -8.318 4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.917 -4.590 3.659 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.812 -6.824 4.739 1.00 0.00 H new ATOM 187 N PRO A 10 4.394 -1.472 2.868 1.00 0.00 N ATOM 188 CA PRO A 10 5.543 -0.640 3.304 1.00 0.00 C ATOM 189 C PRO A 10 6.682 -1.530 3.813 1.00 0.00 C ATOM 190 O PRO A 10 6.748 -1.850 4.982 1.00 0.00 O ATOM 191 CB PRO A 10 4.963 0.208 4.435 1.00 0.00 C ATOM 192 CG PRO A 10 3.803 -0.583 4.949 1.00 0.00 C ATOM 193 CD PRO A 10 3.252 -1.360 3.783 1.00 0.00 C ATOM 0 HA PRO A 10 5.966 -0.036 2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.701 0.382 5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.646 1.186 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.118 -1.256 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.042 0.075 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.888 -2.340 4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.414 -0.842 3.316 1.00 0.00 H new ATOM 201 N TRP A 11 7.561 -1.938 2.925 1.00 0.00 N ATOM 202 CA TRP A 11 8.711 -2.829 3.317 1.00 0.00 C ATOM 203 C TRP A 11 9.100 -2.623 4.777 1.00 0.00 C ATOM 204 O TRP A 11 9.038 -3.528 5.586 1.00 0.00 O ATOM 205 CB TRP A 11 9.905 -2.479 2.413 1.00 0.00 C ATOM 206 CG TRP A 11 9.584 -1.351 1.503 1.00 0.00 C ATOM 207 CD1 TRP A 11 9.368 -0.080 1.874 1.00 0.00 C ATOM 208 CD2 TRP A 11 9.417 -1.403 0.080 1.00 0.00 C ATOM 209 NE1 TRP A 11 9.095 0.673 0.740 1.00 0.00 N ATOM 210 CE2 TRP A 11 9.116 -0.112 -0.399 1.00 0.00 C ATOM 211 CE3 TRP A 11 9.511 -2.451 -0.822 1.00 0.00 C ATOM 212 CZ2 TRP A 11 8.910 0.128 -1.759 1.00 0.00 C ATOM 213 CZ3 TRP A 11 9.306 -2.230 -2.194 1.00 0.00 C ATOM 214 CH2 TRP A 11 9.008 -0.939 -2.664 1.00 0.00 C ATOM 0 H TRP A 11 7.533 -1.691 1.936 1.00 0.00 H new ATOM 0 HA TRP A 11 8.418 -3.872 3.197 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.765 -2.218 3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.187 -3.353 1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.401 0.295 2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.904 1.675 0.746 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.743 -3.444 -0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.678 1.123 -2.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.377 -3.053 -2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.855 -0.769 -3.720 1.00 0.00 H new ATOM 225 N ARG A 12 9.506 -1.437 5.110 1.00 0.00 N ATOM 226 CA ARG A 12 9.912 -1.143 6.518 1.00 0.00 C ATOM 227 C ARG A 12 8.973 -1.843 7.503 1.00 0.00 C ATOM 228 O ARG A 12 7.769 -1.673 7.456 1.00 0.00 O ATOM 229 CB ARG A 12 9.806 0.373 6.672 1.00 0.00 C ATOM 230 CG ARG A 12 11.118 0.923 7.234 1.00 0.00 C ATOM 231 CD ARG A 12 11.511 0.146 8.495 1.00 0.00 C ATOM 232 NE ARG A 12 10.306 0.191 9.372 1.00 0.00 N ATOM 233 CZ ARG A 12 10.008 1.287 10.020 1.00 0.00 C ATOM 234 NH1 ARG A 12 10.760 2.349 9.899 1.00 0.00 N ATOM 235 NH2 ARG A 12 8.955 1.320 10.791 1.00 0.00 N ATOM 0 H ARG A 12 9.577 -0.648 4.467 1.00 0.00 H new ATOM 0 HA ARG A 12 10.920 -1.500 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.590 0.833 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.980 0.625 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.907 0.842 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.008 1.982 7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.786 -0.881 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.372 0.600 8.985 1.00 0.00 H new ATOM 0 HE ARG A 12 9.714 -0.634 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.583 2.325 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.524 3.202 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.367 0.492 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.720 2.174 11.298 1.00 0.00 H new ATOM 249 N ARG A 13 9.513 -2.627 8.394 1.00 0.00 N ATOM 250 CA ARG A 13 8.656 -3.338 9.381 1.00 0.00 C ATOM 251 C ARG A 13 8.409 -2.438 10.599 1.00 0.00 C ATOM 252 O ARG A 13 9.284 -2.245 11.419 1.00 0.00 O ATOM 253 CB ARG A 13 9.466 -4.582 9.762 1.00 0.00 C ATOM 254 CG ARG A 13 9.064 -5.061 11.157 1.00 0.00 C ATOM 255 CD ARG A 13 8.957 -6.587 11.167 1.00 0.00 C ATOM 256 NE ARG A 13 10.357 -7.068 11.332 1.00 0.00 N ATOM 257 CZ ARG A 13 10.725 -7.634 12.449 1.00 0.00 C ATOM 258 NH1 ARG A 13 10.341 -8.850 12.721 1.00 0.00 N ATOM 259 NH2 ARG A 13 11.476 -6.980 13.293 1.00 0.00 N ATOM 0 H ARG A 13 10.513 -2.806 8.481 1.00 0.00 H new ATOM 0 HA ARG A 13 7.674 -3.601 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.295 -5.374 9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.531 -4.353 9.740 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.801 -4.734 11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.110 -4.618 11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.322 -6.933 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.518 -6.958 10.241 1.00 0.00 H new ATOM 0 HE ARG A 13 11.028 -6.955 10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.753 -9.359 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.629 -9.292 13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.774 -6.028 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.765 -7.421 14.166 1.00 0.00 H new HETATM 273 N NH2 A 14 7.241 -1.880 10.752 1.00 0.00 N TER 276 NH2 A 14